CID 11629921

4-chloro-3-(trifluoromethyl)-1h-pyrrolo[2,3-b]pyridine

Structural Information

Molecular Formula
C8H4ClF3N2
SMILES
C1=CN=C2C(=C1Cl)C(=CN2)C(F)(F)F
InChI
InChI=1S/C8H4ClF3N2/c9-5-1-2-13-7-6(5)4(3-14-7)8(10,11)12/h1-3H,(H,13,14)
InChIKey
PMQCMQSPOHRVBS-UHFFFAOYSA-N
Compound name
4-chloro-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

220.00151 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.00879 137.8
[M+Na]+ 242.99073 150.9
[M-H]- 218.99423 135.4
[M+NH4]+ 238.03533 157.1
[M+K]+ 258.96467 144.5
[M+H-H2O]+ 202.99877 129.6
[M+HCOO]- 264.99971 151.2
[M+CH3COO]- 279.01536 182.2
[M+Na-2H]- 240.97618 144.6
[M]+ 220.00096 136.3
[M]- 220.00206 136.3
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