CID 5706481

(e)-hept-2-enoyl chloride

Structural Information

Molecular Formula
C7H11ClO
SMILES
CCCC/C=C/C(=O)Cl
InChI
InChI=1S/C7H11ClO/c1-2-3-4-5-6-7(8)9/h5-6H,2-4H2,1H3/b6-5+
InChIKey
REDBNPUNYZYECN-AATRIKPKSA-N
Compound name
(E)-hept-2-enoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

146.04984 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.057116 129.3
[M+Na]+ 169.039058 137.4
[M-H]- 145.042564 129.5
[M+NH4]+ 164.083663 151.7
[M+K]+ 185.012998 134.4
[M+H-H2O]+ 129.047100 126.0
[M+HCOO]- 191.048041 148.0
[M+CH3COO]- 205.063691 174.5
[M+Na-2H]- 167.024506 134.3
[M]+ 146.04929142 132.1
[M]- 146.05038858 132.1
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