CID 12287601

1-chloro-4-(trimethoxymethyl)benzene

Structural Information

Molecular Formula
C10H13ClO3
SMILES
COC(C1=CC=C(C=C1)Cl)(OC)OC
InChI
InChI=1S/C10H13ClO3/c1-12-10(13-2,14-3)8-4-6-9(11)7-5-8/h4-7H,1-3H3
InChIKey
TWUAATUKQFPYJN-UHFFFAOYSA-N
Compound name
1-chloro-4-(trimethoxymethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

216.05533 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06261 143.3
[M+Na]+ 239.04455 152.4
[M-H]- 215.04805 147.3
[M+NH4]+ 234.08915 163.2
[M+K]+ 255.01849 150.3
[M+H-H2O]+ 199.05259 138.7
[M+HCOO]- 261.05353 162.2
[M+CH3COO]- 275.06918 185.7
[M+Na-2H]- 237.03000 150.7
[M]+ 216.05478 149.9
[M]- 216.05588 149.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe