CID 13398815

4-fluoro-5-methylbenzene-1,2-diamine

Structural Information

Molecular Formula
C7H9FN2
SMILES
CC1=CC(=C(C=C1F)N)N
InChI
InChI=1S/C7H9FN2/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,9-10H2,1H3
InChIKey
SNHYTHIEXHWXCQ-UHFFFAOYSA-N
Compound name
4-fluoro-5-methylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

140.07498 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.08226 125.5
[M+Na]+ 163.06420 136.9
[M+NH4]+ 158.10880 133.9
[M+K]+ 179.03814 131.2
[M-H]- 139.06770 127.7
[M+Na-2H]- 161.04965 131.8
[M]+ 140.07443 127.5
[M]- 140.07553 127.5
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