CID 6452950

54196-62-2

Structural Information

Molecular Formula
C17H13Cl2N3O2
SMILES
CC1=NN=C(N1C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl)CO
InChI
InChI=1S/C17H13Cl2N3O2/c1-10-20-21-16(9-23)22(10)15-7-6-11(18)8-13(15)17(24)12-4-2-3-5-14(12)19/h2-8,23H,9H2,1H3
InChIKey
AXAAMTSBUQOVSO-UHFFFAOYSA-N
Compound name
[5-chloro-2-[3-(hydroxymethyl)-5-methyl-1,2,4-triazol-4-yl]phenyl]-(2-chlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

361.03848 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.04576 181.1
[M+Na]+ 384.02770 197.9
[M+NH4]+ 379.07230 188.0
[M+K]+ 400.00164 191.5
[M-H]- 360.03120 184.7
[M+Na-2H]- 382.01315 189.5
[M]+ 361.03793 185.1
[M]- 361.03903 185.1
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