CID 53435198

4-(difluoromethyl)aniline hydrochloride

Structural Information

Molecular Formula
C7H7F2N
SMILES
C1=CC(=CC=C1C(F)F)N
InChI
InChI=1S/C7H7F2N/c8-7(9)5-1-3-6(10)4-2-5/h1-4,7H,10H2
InChIKey
FRVATKJLVXRQHU-UHFFFAOYSA-N
Compound name
4-(difluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

143.05466 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06194 124.4
[M+Na]+ 166.04388 132.6
[M-H]- 142.04738 125.4
[M+NH4]+ 161.08848 145.5
[M+K]+ 182.01782 130.4
[M+H-H2O]+ 126.05192 117.3
[M+HCOO]- 188.05286 146.9
[M+CH3COO]- 202.06851 176.8
[M+Na-2H]- 164.02933 129.9
[M]+ 143.05411 119.3
[M]- 143.05521 119.3
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