CID 15595105

Ec 402-190-4

Structural Information

Molecular Formula
C13H8ClF4NO
SMILES
C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)N)F
InChI
InChI=1S/C13H8ClF4NO/c14-9-5-7(13(16,17)18)1-4-12(9)20-8-2-3-11(19)10(15)6-8/h1-6H,19H2
InChIKey
VJDSJZLFFLFXEQ-UHFFFAOYSA-N
Compound name
4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

305.02304 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.03032 160.6
[M+Na]+ 328.01226 172.1
[M-H]- 304.01576 162.5
[M+NH4]+ 323.05686 176.4
[M+K]+ 343.98620 165.4
[M+H-H2O]+ 288.02030 151.1
[M+HCOO]- 350.02124 175.5
[M+CH3COO]- 364.03689 204.3
[M+Na-2H]- 325.99771 163.4
[M]+ 305.02249 157.9
[M]- 305.02359 157.9
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