CID 96595

3,5-difluoroaniline

Structural Information

Molecular Formula
C6H5F2N
SMILES
C1=C(C=C(C=C1F)F)N
InChI
InChI=1S/C6H5F2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2
InChIKey
KQOIBXZRCYFZSO-UHFFFAOYSA-N
Compound name
3,5-difluoroaniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

4313
Patents

129.039 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.04628 118.8
[M+Na]+ 152.02822 128.7
[M-H]- 128.03172 120.3
[M+NH4]+ 147.07282 140.9
[M+K]+ 168.00216 126.3
[M+H-H2O]+ 112.03626 112.2
[M+HCOO]- 174.03720 142.7
[M+CH3COO]- 188.05285 174.1
[M+Na-2H]- 150.01367 125.4
[M]+ 129.03845 114.4
[M]- 129.03955 114.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe