CID 45090554

710351-86-3

Structural Information

Molecular Formula
C9H12FN
SMILES
CC(C)C1=C(C=CC(=C1)N)F
InChI
InChI=1S/C9H12FN/c1-6(2)8-5-7(11)3-4-9(8)10/h3-6H,11H2,1-2H3
InChIKey
AEWMVMHKUNCBIR-UHFFFAOYSA-N
Compound name
4-fluoro-3-propan-2-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

153.09538 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.10266 130.7
[M+Na]+ 176.08460 139.0
[M-H]- 152.08810 133.2
[M+NH4]+ 171.12920 151.9
[M+K]+ 192.05854 136.8
[M+H-H2O]+ 136.09264 124.6
[M+HCOO]- 198.09358 153.7
[M+CH3COO]- 212.10923 181.3
[M+Na-2H]- 174.07005 135.0
[M]+ 153.09483 127.9
[M]- 153.09593 127.9
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