CID 43616010

1155980-26-9

Structural Information

Molecular Formula
C11H12ClNO
SMILES
CC1=CC(=C(N1CC#C)C)C(=O)CCl
InChI
InChI=1S/C11H12ClNO/c1-4-5-13-8(2)6-10(9(13)3)11(14)7-12/h1,6H,5,7H2,2-3H3
InChIKey
POJRSOIYKAEHSX-UHFFFAOYSA-N
Compound name
2-chloro-1-(2,5-dimethyl-1-prop-2-ynylpyrrol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.06075 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.06803 139.5
[M+Na]+ 232.04997 151.8
[M+NH4]+ 227.09457 143.9
[M+K]+ 248.02391 144.2
[M-H]- 208.05347 132.3
[M+Na-2H]- 230.03542 141.5
[M]+ 209.06020 138.6
[M]- 209.06130 138.6
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

No patent data available for this compound.