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

49
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 125.7
[M+Na]+ 163.06420 135.2
[M-H]- 139.06770 128.2
[M+NH4]+ 158.10880 147.1
[M+K]+ 179.03814 132.6
[M+H-H2O]+ 123.07224 119.6
[M+HCOO]- 185.07318 150.6
[M+CH3COO]- 199.08883 179.8
[M+Na-2H]- 161.04965 130.7
[M]+ 140.07443 121.4
[M]- 140.07553 121.4
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