CID 130116198

2-(chloromethyl)-3-methyl-4-(trifluoromethyl)pyridine hydrochloride

Structural Information

Molecular Formula
C8H7ClF3N
SMILES
CC1=C(C=CN=C1CCl)C(F)(F)F
InChI
InChI=1S/C8H7ClF3N/c1-5-6(8(10,11)12)2-3-13-7(5)4-9/h2-3H,4H2,1H3
InChIKey
AJEIIHTUKPGYBR-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-3-methyl-4-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.02191 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.02919 136.1
[M+Na]+ 232.01113 147.3
[M-H]- 208.01463 135.0
[M+NH4]+ 227.05573 155.1
[M+K]+ 247.98507 142.7
[M+H-H2O]+ 192.01917 128.5
[M+HCOO]- 254.02011 150.3
[M+CH3COO]- 268.03576 185.1
[M+Na-2H]- 229.99658 142.0
[M]+ 209.02136 134.8
[M]- 209.02246 134.8
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

No patent data available for this compound.