CID 22260704

5-(dimethoxymethyl)-2-fluorobenzaldehyde

Structural Information

Molecular Formula
C10H11FO3
SMILES
COC(C1=CC(=C(C=C1)F)C=O)OC
InChI
InChI=1S/C10H11FO3/c1-13-10(14-2)7-3-4-9(11)8(5-7)6-12/h3-6,10H,1-2H3
InChIKey
FOACLZSTLHQPNC-UHFFFAOYSA-N
Compound name
5-(dimethoxymethyl)-2-fluorobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

198.06923 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.076506 138.2
[M+Na]+ 221.058448 147.1
[M-H]- 197.061954 141.0
[M+NH4]+ 216.103053 157.9
[M+K]+ 237.032388 146.0
[M+H-H2O]+ 181.066490 131.6
[M+HCOO]- 243.067431 161.3
[M+CH3COO]- 257.083081 185.4
[M+Na-2H]- 219.043896 142.8
[M]+ 198.06868142 141.2
[M]- 198.06977858 141.2
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