CID 10176749

186033-14-7

Structural Information

Molecular Formula
C12H10FN3
SMILES
CC1=C(NC(=C1C#N)N)C2=CC=CC=C2F
InChI
InChI=1S/C12H10FN3/c1-7-9(6-14)12(15)16-11(7)8-4-2-3-5-10(8)13/h2-5,16H,15H2,1H3
InChIKey
KVDWOQGDMAEJLM-UHFFFAOYSA-N
Compound name
2-amino-5-(2-fluorophenyl)-4-methyl-1H-pyrrole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

47
Patents

215.08588 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.09316 148.4
[M+Na]+ 238.07510 159.9
[M-H]- 214.07860 150.4
[M+NH4]+ 233.11970 164.6
[M+K]+ 254.04904 153.7
[M+H-H2O]+ 198.08314 134.0
[M+HCOO]- 260.08408 166.9
[M+CH3COO]- 274.09973 159.3
[M+Na-2H]- 236.06055 150.0
[M]+ 215.08533 139.9
[M]- 215.08643 139.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe