CID 84070307

5-chloro-2-methoxy-3-(trifluoromethyl)benzaldehyde

Structural Information

Molecular Formula
C9H6ClF3O2
SMILES
COC1=C(C=C(C=C1C(F)(F)F)Cl)C=O
InChI
InChI=1S/C9H6ClF3O2/c1-15-8-5(4-14)2-6(10)3-7(8)9(11,12)13/h2-4H,1H3
InChIKey
QDLQUIMPKNUFEJ-UHFFFAOYSA-N
Compound name
5-chloro-2-methoxy-3-(trifluoromethyl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

238.00084 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.00812 140.4
[M+Na]+ 260.99006 152.3
[M-H]- 236.99356 141.2
[M+NH4]+ 256.03466 159.8
[M+K]+ 276.96400 148.1
[M+H-H2O]+ 220.99810 133.8
[M+HCOO]- 282.99904 156.4
[M+CH3COO]- 297.01469 189.7
[M+Na-2H]- 258.97551 145.3
[M]+ 238.00029 141.7
[M]- 238.00139 141.7
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