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]+ 169.113556 135.2
[M+Na]+ 191.095498 142.6
[M-H]- 167.099004 137.5
[M+NH4]+ 186.140103 155.3
[M+K]+ 207.069438 140.3
[M+H-H2O]+ 151.103540 128.4
[M+HCOO]- 213.104481 159.1
[M+CH3COO]- 227.120131 186.3
[M+Na-2H]- 189.080946 139.6
[M]+ 168.10573142 131.6
[M]- 168.10682858 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