CID 28603858

Akos000260114

Structural Information

Molecular Formula
C11H11ClO2
SMILES
C1CC1COC2=C(C(=CC=C2)Cl)C=O
InChI
InChI=1S/C11H11ClO2/c12-10-2-1-3-11(9(10)6-13)14-7-8-4-5-8/h1-3,6,8H,4-5,7H2
InChIKey
QQTMSBVBJPSRPA-UHFFFAOYSA-N
Compound name
2-chloro-6-(cyclopropylmethoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.04475 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.05203 140.1
[M+Na]+ 233.03397 151.1
[M-H]- 209.03747 147.8
[M+NH4]+ 228.07857 155.3
[M+K]+ 249.00791 146.5
[M+H-H2O]+ 193.04201 134.3
[M+HCOO]- 255.04295 160.6
[M+CH3COO]- 269.05860 188.2
[M+Na-2H]- 231.01942 146.0
[M]+ 210.04420 146.5
[M]- 210.04530 146.5
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.