CID 10511309

4-fluoro-1-n-(propan-2-yl)benzene-1,2-diamine

Structural Information

Molecular Formula
C9H13FN2
SMILES
CC(C)NC1=C(C=C(C=C1)F)N
InChI
InChI=1S/C9H13FN2/c1-6(2)12-9-4-3-7(10)5-8(9)11/h3-6,12H,11H2,1-2H3
InChIKey
XAJNISZBIJDONJ-UHFFFAOYSA-N
Compound name
4-fluoro-1-N-propan-2-ylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

168.10628 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.11356 135.2
[M+Na]+ 191.09550 142.6
[M-H]- 167.09900 137.5
[M+NH4]+ 186.14010 155.3
[M+K]+ 207.06944 140.3
[M+H-H2O]+ 151.10354 128.4
[M+HCOO]- 213.10448 159.1
[M+CH3COO]- 227.12013 186.3
[M+Na-2H]- 189.08095 139.6
[M]+ 168.10573 131.6
[M]- 168.10683 131.6
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