CID 135372750

2250141-10-5

Structural Information

Molecular Formula
C16H13ClF3N5O
SMILES
C1=CC=C(C(=C1)C2=NN(N=N2)CCO)NC3=CC(=C(C=C3)C(F)(F)F)Cl
InChI
InChI=1S/C16H13ClF3N5O/c17-13-9-10(5-6-12(13)16(18,19)20)21-14-4-2-1-3-11(14)15-22-24-25(23-15)7-8-26/h1-6,9,21,26H,7-8H2
InChIKey
FDZYWGYKIWJDRX-UHFFFAOYSA-N
Compound name
2-[5-[2-[3-chloro-4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

383.07608 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.08336 183.7
[M+Na]+ 406.06530 194.0
[M-H]- 382.06880 183.8
[M+NH4]+ 401.10990 191.6
[M+K]+ 422.03924 185.4
[M+H-H2O]+ 366.07334 170.4
[M+HCOO]- 428.07428 194.1
[M+CH3COO]- 442.08993 192.1
[M+Na-2H]- 404.05075 186.2
[M]+ 383.07553 182.5
[M]- 383.07663 182.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe