CID 89663040

3-(difluoromethyl)-4,5-difluoroaniline hydrochloride

Structural Information

Molecular Formula
C7H5F4N
SMILES
C1=C(C=C(C(=C1C(F)F)F)F)N
InChI
InChI=1S/C7H5F4N/c8-5-2-3(12)1-4(6(5)9)7(10)11/h1-2,7H,12H2
InChIKey
BDOMRCLULHAUAJ-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)-4,5-difluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

179.03581 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.04309 129.3
[M+Na]+ 202.02503 139.4
[M-H]- 178.02853 128.1
[M+NH4]+ 197.06963 149.2
[M+K]+ 217.99897 136.3
[M+H-H2O]+ 162.03307 120.6
[M+HCOO]- 224.03401 149.5
[M+CH3COO]- 238.04966 184.9
[M+Na-2H]- 200.01048 132.0
[M]+ 179.03526 122.4
[M]- 179.03636 122.4
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