CID 58742071

1-fluoro-4-(2-methoxyethoxy)benzene

Structural Information

Molecular Formula
C9H11FO2
SMILES
COCCOC1=CC=C(C=C1)F
InChI
InChI=1S/C9H11FO2/c1-11-6-7-12-9-4-2-8(10)3-5-9/h2-5H,6-7H2,1H3
InChIKey
RBTCKTFQFSZUQX-UHFFFAOYSA-N
Compound name
1-fluoro-4-(2-methoxyethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

170.07431 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.081586 132.3
[M+Na]+ 193.063528 140.7
[M-H]- 169.067034 134.9
[M+NH4]+ 188.108133 153.0
[M+K]+ 209.037468 139.5
[M+H-H2O]+ 153.071570 125.8
[M+HCOO]- 215.072511 156.4
[M+CH3COO]- 229.088161 179.2
[M+Na-2H]- 191.048976 139.4
[M]+ 170.07376142 134.4
[M]- 170.07485858 134.4
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