CID 58482996

2-(difluoromethyl)-4-fluoroaniline hydrochloride

Structural Information

Molecular Formula
C7H6F3N
SMILES
C1=CC(=C(C=C1F)C(F)F)N
InChI
InChI=1S/C7H6F3N/c8-4-1-2-6(11)5(3-4)7(9)10/h1-3,7H,11H2
InChIKey
GMOKYLWICVYFLS-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)-4-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

161.04523 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.052506 126.8
[M+Na]+ 184.034448 136.0
[M-H]- 160.037954 126.7
[M+NH4]+ 179.079053 147.3
[M+K]+ 200.008388 133.3
[M+H-H2O]+ 144.042490 118.9
[M+HCOO]- 206.043431 148.2
[M+CH3COO]- 220.059081 180.8
[M+Na-2H]- 182.019896 130.9
[M]+ 161.04468142 120.8
[M]- 161.04577858 120.8
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