CID 58270351

4-(cyclopropylsulfonyl)-2-fluoroaniline

Structural Information

Molecular Formula
C9H10FNO2S
SMILES
C1CC1S(=O)(=O)C2=CC(=C(C=C2)N)F
InChI
InChI=1S/C9H10FNO2S/c10-8-5-7(3-4-9(8)11)14(12,13)6-1-2-6/h3-6H,1-2,11H2
InChIKey
MOTPVTWZOVUFKZ-UHFFFAOYSA-N
Compound name
4-cyclopropylsulfonyl-2-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

215.04163 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.04891 148.3
[M+Na]+ 238.03085 159.8
[M+NH4]+ 233.07545 156.3
[M+K]+ 254.00479 154.5
[M-H]- 214.03435 156.3
[M+Na-2H]- 236.01630 156.1
[M]+ 215.04108 153.6
[M]- 215.04218 153.6
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